USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 MET CE :methyl -115:sc= -5.19! (180deg=-3.32!) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.39 X(o=-11,f=-11!) USER MOD Single : A 9 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 13 GLN :FLIP amide:sc= -1.19 F(o=-2!,f=-1.2) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.315 K(o=-0.32,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.0049) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -3.65 (180deg=-4.64!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -123:sc= -4.37! (180deg=-9.33!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -172:sc= -3.22! USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.229 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00088) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -91:sc= 1.49 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN :FLIP amide:sc= -3.19 F(o=-3.8!,f=-3.2) USER MOD Single : A 102 SER OG : rot -132:sc= -4.15! USER MOD Single : A 107 MET CE :methyl 137:sc= -9.95! (180deg=-16.2!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -0.442 -18.623 -5.778 1.00 0.00 N ATOM 116 CA PRO A 8 0.118 -17.487 -5.068 1.00 0.00 C ATOM 117 C PRO A 8 -0.925 -16.384 -4.887 1.00 0.00 C ATOM 118 O PRO A 8 -0.613 -15.303 -4.388 1.00 0.00 O ATOM 119 CB PRO A 8 1.307 -17.047 -5.908 1.00 0.00 C ATOM 120 CG PRO A 8 1.091 -17.653 -7.286 1.00 0.00 C ATOM 121 CD PRO A 8 0.003 -18.707 -7.166 1.00 0.00 C ATOM 0 HA PRO A 8 0.432 -17.738 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.365 -15.960 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.244 -17.394 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.799 -16.883 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.015 -18.098 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.817 -18.511 -7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.386 -19.700 -7.400 1.00 0.00 H new ATOM 129 N GLN A 9 -2.145 -16.693 -5.301 1.00 0.00 N ATOM 130 CA GLN A 9 -3.238 -15.741 -5.191 1.00 0.00 C ATOM 131 C GLN A 9 -3.753 -15.689 -3.750 1.00 0.00 C ATOM 132 O GLN A 9 -4.067 -14.616 -3.237 1.00 0.00 O ATOM 133 CB GLN A 9 -4.366 -16.086 -6.164 1.00 0.00 C ATOM 134 CG GLN A 9 -4.811 -14.849 -6.947 1.00 0.00 C ATOM 135 CD GLN A 9 -5.303 -15.234 -8.344 1.00 0.00 C ATOM 136 OE1 GLN A 9 -5.090 -16.336 -8.824 1.00 0.00 O ATOM 137 NE2 GLN A 9 -5.972 -14.268 -8.967 1.00 0.00 N ATOM 0 H GLN A 9 -2.401 -17.590 -5.714 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.862 -14.753 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.031 -16.858 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.213 -16.497 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.607 -14.338 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.980 -14.148 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.115 -13.368 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.342 -14.427 -9.904 1.00 0.00 H new ATOM 146 N ARG A 10 -3.823 -16.862 -3.138 1.00 0.00 N ATOM 147 CA ARG A 10 -4.294 -16.965 -1.768 1.00 0.00 C ATOM 148 C ARG A 10 -3.428 -16.107 -0.843 1.00 0.00 C ATOM 149 O ARG A 10 -3.947 -15.391 0.012 1.00 0.00 O ATOM 150 CB ARG A 10 -4.266 -18.415 -1.281 1.00 0.00 C ATOM 151 CG ARG A 10 -5.119 -18.588 -0.024 1.00 0.00 C ATOM 152 CD ARG A 10 -4.331 -18.206 1.231 1.00 0.00 C ATOM 153 NE ARG A 10 -4.284 -19.352 2.168 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.361 -19.496 3.143 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.399 -18.566 3.316 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.415 -20.558 3.922 1.00 0.00 N ATOM 0 H ARG A 10 -3.561 -17.750 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.323 -16.607 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.634 -19.074 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.238 -18.712 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.013 -17.969 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.453 -19.623 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.319 -17.907 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.797 -17.348 1.716 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.994 -20.078 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.366 -17.748 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.705 -18.681 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.146 -21.255 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.726 -20.682 4.663 1.00 0.00 H new ATOM 169 N VAL A 11 -2.123 -16.205 -1.047 1.00 0.00 N ATOM 170 CA VAL A 11 -1.180 -15.447 -0.243 1.00 0.00 C ATOM 171 C VAL A 11 -1.202 -13.983 -0.685 1.00 0.00 C ATOM 172 O VAL A 11 -1.042 -13.080 0.135 1.00 0.00 O ATOM 173 CB VAL A 11 0.211 -16.080 -0.334 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.284 -15.118 0.183 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.259 -17.410 0.418 1.00 0.00 C ATOM 0 H VAL A 11 -1.696 -16.798 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.466 -15.473 0.809 1.00 0.00 H new ATOM 0 HB VAL A 11 0.419 -16.283 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.263 -15.591 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.274 -14.207 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.079 -14.871 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.258 -17.838 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.020 -17.243 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.467 -18.099 -0.014 1.00 0.00 H new ATOM 185 N ALA A 12 -1.400 -13.791 -1.981 1.00 0.00 N ATOM 186 CA ALA A 12 -1.446 -12.452 -2.541 1.00 0.00 C ATOM 187 C ALA A 12 -2.609 -11.681 -1.915 1.00 0.00 C ATOM 188 O ALA A 12 -2.451 -10.529 -1.515 1.00 0.00 O ATOM 189 CB ALA A 12 -1.556 -12.538 -4.065 1.00 0.00 C ATOM 0 H ALA A 12 -1.530 -14.541 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.529 -11.909 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.591 -11.533 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.691 -13.068 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.465 -13.075 -4.334 1.00 0.00 H new ATOM 195 N GLN A 13 -3.753 -12.346 -1.852 1.00 0.00 N ATOM 196 CA GLN A 13 -4.943 -11.738 -1.281 1.00 0.00 C ATOM 197 C GLN A 13 -4.753 -11.505 0.219 1.00 0.00 C ATOM 198 O GLN A 13 -4.728 -10.363 0.676 1.00 0.00 O ATOM 199 CB GLN A 13 -6.180 -12.596 -1.551 1.00 0.00 C ATOM 200 CG GLN A 13 -6.432 -12.739 -3.053 1.00 0.00 C ATOM 201 CD GLN A 13 -5.825 -11.565 -3.825 1.00 0.00 C ATOM 202 OE1 GLN A 13 -6.352 -10.385 -3.513 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -4.940 -11.721 -4.649 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.881 -13.301 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.100 -10.772 -1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.047 -13.582 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.050 -12.145 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.002 -13.675 -3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.504 -12.788 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.580 -12.656 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.559 -10.916 -5.147 1.00 0.00 H new ATOM 212 N GLU A 14 -4.623 -12.605 0.944 1.00 0.00 N ATOM 213 CA GLU A 14 -4.436 -12.536 2.383 1.00 0.00 C ATOM 214 C GLU A 14 -3.495 -11.384 2.743 1.00 0.00 C ATOM 215 O GLU A 14 -3.738 -10.655 3.701 1.00 0.00 O ATOM 216 CB GLU A 14 -3.911 -13.864 2.934 1.00 0.00 C ATOM 217 CG GLU A 14 -5.062 -14.760 3.395 1.00 0.00 C ATOM 218 CD GLU A 14 -5.324 -14.587 4.893 1.00 0.00 C ATOM 219 OE1 GLU A 14 -4.384 -14.654 5.699 1.00 0.00 O ATOM 220 OE2 GLU A 14 -6.556 -14.374 5.210 1.00 0.00 O ATOM 0 H GLU A 14 -4.643 -13.550 0.562 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.405 -12.346 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.332 -14.377 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.236 -13.674 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.964 -14.517 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.825 -15.802 3.181 1.00 0.00 H new ATOM 228 N MET A 15 -2.440 -11.257 1.950 1.00 0.00 N ATOM 229 CA MET A 15 -1.460 -10.207 2.172 1.00 0.00 C ATOM 230 C MET A 15 -2.000 -8.850 1.712 1.00 0.00 C ATOM 231 O MET A 15 -1.729 -7.826 2.338 1.00 0.00 O ATOM 232 CB MET A 15 -0.179 -10.534 1.405 1.00 0.00 C ATOM 233 CG MET A 15 0.754 -11.410 2.243 1.00 0.00 C ATOM 234 SD MET A 15 2.076 -12.044 1.226 1.00 0.00 S ATOM 235 CE MET A 15 3.410 -10.981 1.753 1.00 0.00 C ATOM 0 H MET A 15 -2.243 -11.863 1.154 1.00 0.00 H new ATOM 0 HA MET A 15 -1.249 -10.151 3.240 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.428 -11.047 0.476 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.331 -9.610 1.132 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.166 -10.830 3.069 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.194 -12.236 2.682 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.319 -11.243 1.212 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.151 -9.943 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.575 -11.107 2.823 1.00 0.00 H new ATOM 245 N GLN A 16 -2.750 -8.886 0.620 1.00 0.00 N ATOM 246 CA GLN A 16 -3.329 -7.673 0.069 1.00 0.00 C ATOM 247 C GLN A 16 -4.328 -7.066 1.056 1.00 0.00 C ATOM 248 O GLN A 16 -4.461 -5.845 1.138 1.00 0.00 O ATOM 249 CB GLN A 16 -3.990 -7.945 -1.283 1.00 0.00 C ATOM 250 CG GLN A 16 -4.287 -6.640 -2.021 1.00 0.00 C ATOM 251 CD GLN A 16 -5.781 -6.506 -2.323 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.611 -7.241 -1.813 1.00 0.00 O ATOM 253 NE2 GLN A 16 -6.077 -5.530 -3.176 1.00 0.00 N ATOM 0 H GLN A 16 -2.970 -9.737 0.102 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.527 -6.953 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.337 -8.570 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.916 -8.501 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.957 -5.794 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.720 -6.608 -2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.334 -4.951 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.048 -5.360 -3.440 1.00 0.00 H new ATOM 262 N LYS A 17 -5.005 -7.944 1.781 1.00 0.00 N ATOM 263 CA LYS A 17 -5.987 -7.510 2.759 1.00 0.00 C ATOM 264 C LYS A 17 -5.266 -7.010 4.012 1.00 0.00 C ATOM 265 O LYS A 17 -5.638 -5.982 4.579 1.00 0.00 O ATOM 266 CB LYS A 17 -6.998 -8.625 3.035 1.00 0.00 C ATOM 267 CG LYS A 17 -8.366 -8.047 3.401 1.00 0.00 C ATOM 268 CD LYS A 17 -9.005 -8.834 4.547 1.00 0.00 C ATOM 269 CE LYS A 17 -8.299 -8.541 5.873 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.956 -9.271 6.982 1.00 0.00 N ATOM 0 H LYS A 17 -4.892 -8.955 1.710 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.568 -6.674 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.092 -9.261 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.637 -9.255 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.258 -7.001 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.020 -8.071 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.060 -8.574 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.955 -9.901 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.251 -8.834 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.318 -7.470 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.465 -9.061 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.949 -8.971 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.916 -10.294 6.797 1.00 0.00 H new ATOM 283 N GLU A 18 -4.248 -7.759 4.410 1.00 0.00 N ATOM 284 CA GLU A 18 -3.472 -7.404 5.586 1.00 0.00 C ATOM 285 C GLU A 18 -2.697 -6.108 5.338 1.00 0.00 C ATOM 286 O GLU A 18 -2.618 -5.251 6.218 1.00 0.00 O ATOM 287 CB GLU A 18 -2.527 -8.539 5.982 1.00 0.00 C ATOM 288 CG GLU A 18 -1.957 -8.315 7.383 1.00 0.00 C ATOM 289 CD GLU A 18 -2.906 -8.858 8.455 1.00 0.00 C ATOM 290 OE1 GLU A 18 -4.053 -8.399 8.558 1.00 0.00 O ATOM 291 OE2 GLU A 18 -2.413 -9.793 9.195 1.00 0.00 O ATOM 0 H GLU A 18 -3.943 -8.610 3.939 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.160 -7.241 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.061 -9.489 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.712 -8.607 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.988 -8.806 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.790 -7.250 7.546 1.00 0.00 H new ATOM 299 N ILE A 19 -2.146 -6.004 4.139 1.00 0.00 N ATOM 300 CA ILE A 19 -1.380 -4.827 3.765 1.00 0.00 C ATOM 301 C ILE A 19 -2.336 -3.655 3.530 1.00 0.00 C ATOM 302 O ILE A 19 -2.128 -2.564 4.057 1.00 0.00 O ATOM 303 CB ILE A 19 -0.476 -5.132 2.571 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.287 -5.214 1.276 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.345 -6.400 2.814 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.432 -5.751 0.126 1.00 0.00 C ATOM 0 H ILE A 19 -2.214 -6.716 3.412 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.711 -4.536 4.574 1.00 0.00 H new ATOM 0 HB ILE A 19 0.229 -4.309 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.151 -5.862 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.669 -4.226 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.979 -6.594 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.968 -6.266 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.327 -7.244 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.033 -5.799 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.418 -5.088 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.071 -6.749 0.376 1.00 0.00 H new ATOM 318 N ALA A 20 -3.365 -3.923 2.738 1.00 0.00 N ATOM 319 CA ALA A 20 -4.354 -2.905 2.427 1.00 0.00 C ATOM 320 C ALA A 20 -4.880 -2.297 3.728 1.00 0.00 C ATOM 321 O ALA A 20 -5.156 -1.100 3.791 1.00 0.00 O ATOM 322 CB ALA A 20 -5.468 -3.519 1.578 1.00 0.00 C ATOM 0 H ALA A 20 -3.535 -4.830 2.303 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.906 -2.100 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.210 -2.756 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.046 -3.910 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.943 -4.329 2.131 1.00 0.00 H new ATOM 328 N LEU A 21 -5.004 -3.148 4.735 1.00 0.00 N ATOM 329 CA LEU A 21 -5.493 -2.709 6.031 1.00 0.00 C ATOM 330 C LEU A 21 -4.443 -1.811 6.690 1.00 0.00 C ATOM 331 O LEU A 21 -4.710 -0.644 6.973 1.00 0.00 O ATOM 332 CB LEU A 21 -5.896 -3.910 6.887 1.00 0.00 C ATOM 333 CG LEU A 21 -6.352 -3.596 8.313 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.870 -3.741 8.447 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.604 -4.457 9.332 1.00 0.00 C ATOM 0 H LEU A 21 -4.774 -4.140 4.680 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.397 -2.112 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.701 -4.440 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.049 -4.593 6.940 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.106 -2.556 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.168 -3.512 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.363 -3.051 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.161 -4.763 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.948 -4.213 10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.796 -5.511 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.534 -4.262 9.257 1.00 0.00 H new ATOM 347 N ILE A 22 -3.271 -2.389 6.913 1.00 0.00 N ATOM 348 CA ILE A 22 -2.182 -1.655 7.533 1.00 0.00 C ATOM 349 C ILE A 22 -1.867 -0.415 6.694 1.00 0.00 C ATOM 350 O ILE A 22 -1.277 0.543 7.194 1.00 0.00 O ATOM 351 CB ILE A 22 -0.976 -2.571 7.752 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.361 -3.795 8.585 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.193 -1.801 8.371 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.333 -4.917 8.421 1.00 0.00 C ATOM 0 H ILE A 22 -3.053 -3.357 6.675 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.473 -1.306 8.524 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.643 -2.935 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.434 -3.515 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.345 -4.151 8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.037 -2.476 8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.487 -0.990 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.112 -1.389 9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.631 -5.775 9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.280 -5.211 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.645 -4.565 8.749 1.00 0.00 H new ATOM 366 N LEU A 23 -2.273 -0.471 5.435 1.00 0.00 N ATOM 367 CA LEU A 23 -2.042 0.635 4.523 1.00 0.00 C ATOM 368 C LEU A 23 -3.196 1.634 4.636 1.00 0.00 C ATOM 369 O LEU A 23 -3.075 2.780 4.205 1.00 0.00 O ATOM 370 CB LEU A 23 -1.812 0.119 3.100 1.00 0.00 C ATOM 371 CG LEU A 23 -1.071 1.067 2.155 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.361 1.309 2.632 1.00 0.00 C ATOM 373 CD2 LEU A 23 -1.117 0.550 0.715 1.00 0.00 C ATOM 0 H LEU A 23 -2.761 -1.267 5.024 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.131 1.168 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.252 -0.814 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.781 -0.118 2.660 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.580 2.031 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.865 1.986 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.343 1.753 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.898 0.361 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.583 1.241 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.646 -0.432 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.154 0.472 0.389 1.00 0.00 H new ATOM 385 N GLN A 24 -4.290 1.162 5.216 1.00 0.00 N ATOM 386 CA GLN A 24 -5.465 1.999 5.391 1.00 0.00 C ATOM 387 C GLN A 24 -5.687 2.297 6.876 1.00 0.00 C ATOM 388 O GLN A 24 -6.560 3.089 7.228 1.00 0.00 O ATOM 389 CB GLN A 24 -6.701 1.344 4.772 1.00 0.00 C ATOM 390 CG GLN A 24 -7.023 1.962 3.410 1.00 0.00 C ATOM 391 CD GLN A 24 -8.334 1.404 2.850 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.407 1.614 3.389 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.186 0.683 1.743 1.00 0.00 N ATOM 0 H GLN A 24 -4.387 0.211 5.571 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.297 2.943 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.532 0.273 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.554 1.463 5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.097 3.045 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.210 1.759 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.257 0.546 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.001 0.267 1.293 1.00 0.00 H new ATOM 402 N ARG A 25 -4.885 1.645 7.703 1.00 0.00 N ATOM 403 CA ARG A 25 -4.984 1.831 9.142 1.00 0.00 C ATOM 404 C ARG A 25 -3.722 2.510 9.677 1.00 0.00 C ATOM 405 O ARG A 25 -3.799 3.573 10.293 1.00 0.00 O ATOM 406 CB ARG A 25 -5.177 0.492 9.858 1.00 0.00 C ATOM 407 CG ARG A 25 -6.485 0.480 10.653 1.00 0.00 C ATOM 408 CD ARG A 25 -7.678 0.183 9.743 1.00 0.00 C ATOM 409 NE ARG A 25 -8.767 -0.446 10.524 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.708 0.246 11.201 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.702 1.595 11.198 1.00 0.00 N ATOM 412 NH2 ARG A 25 -10.635 -0.419 11.866 1.00 0.00 N ATOM 0 H ARG A 25 -4.164 0.988 7.406 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.851 2.463 9.336 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.183 -0.317 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.338 0.310 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.429 -0.271 11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.627 1.444 11.141 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.034 1.105 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.372 -0.478 8.933 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.809 -1.465 10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.982 2.101 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.417 2.109 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.632 -1.439 11.863 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.354 0.087 12.383 1.00 0.00 H new ATOM 425 N GLU A 26 -2.591 1.868 9.425 1.00 0.00 N ATOM 426 CA GLU A 26 -1.314 2.398 9.875 1.00 0.00 C ATOM 427 C GLU A 26 -0.969 3.675 9.105 1.00 0.00 C ATOM 428 O GLU A 26 -0.125 4.456 9.541 1.00 0.00 O ATOM 429 CB GLU A 26 -0.206 1.353 9.729 1.00 0.00 C ATOM 430 CG GLU A 26 0.749 1.721 8.592 1.00 0.00 C ATOM 431 CD GLU A 26 1.755 2.782 9.042 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.922 3.805 8.363 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.374 2.515 10.142 1.00 0.00 O ATOM 0 H GLU A 26 -2.532 0.986 8.915 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.397 2.646 10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.349 1.274 10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.647 0.375 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.280 0.830 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.180 2.093 7.740 1.00 0.00 H new ATOM 441 N ILE A 27 -1.638 3.846 7.975 1.00 0.00 N ATOM 442 CA ILE A 27 -1.412 5.015 7.142 1.00 0.00 C ATOM 443 C ILE A 27 -2.297 6.163 7.631 1.00 0.00 C ATOM 444 O ILE A 27 -3.067 6.000 8.576 1.00 0.00 O ATOM 445 CB ILE A 27 -1.615 4.667 5.665 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.379 5.037 4.841 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.886 5.319 5.118 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.752 5.285 3.377 1.00 0.00 C ATOM 0 H ILE A 27 -2.337 3.195 7.616 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.378 5.351 7.228 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.746 3.588 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.087 5.930 5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.357 4.235 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.007 5.056 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.749 4.964 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.810 6.402 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.143 5.546 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.196 4.382 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.470 6.103 3.318 1.00 0.00 H new ATOM 460 N LYS A 28 -2.158 7.301 6.964 1.00 0.00 N ATOM 461 CA LYS A 28 -2.935 8.474 7.318 1.00 0.00 C ATOM 462 C LYS A 28 -4.113 8.611 6.353 1.00 0.00 C ATOM 463 O LYS A 28 -4.121 9.496 5.499 1.00 0.00 O ATOM 464 CB LYS A 28 -2.038 9.714 7.373 1.00 0.00 C ATOM 465 CG LYS A 28 -1.328 9.936 6.038 1.00 0.00 C ATOM 466 CD LYS A 28 0.191 9.932 6.218 1.00 0.00 C ATOM 467 CE LYS A 28 0.759 8.520 6.061 1.00 0.00 C ATOM 468 NZ LYS A 28 2.230 8.531 6.227 1.00 0.00 N ATOM 0 H LYS A 28 -1.518 7.433 6.181 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.353 8.366 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.637 10.590 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.300 9.598 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.616 9.155 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.644 10.886 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.649 10.596 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.445 10.322 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.309 7.856 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.501 8.125 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.639 7.701 5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.620 9.398 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.465 8.502 7.240 1.00 0.00 H new ATOM 481 N ASP A 29 -5.082 7.723 6.522 1.00 0.00 N ATOM 482 CA ASP A 29 -6.263 7.734 5.677 1.00 0.00 C ATOM 483 C ASP A 29 -7.284 8.720 6.247 1.00 0.00 C ATOM 484 O ASP A 29 -7.806 9.566 5.522 1.00 0.00 O ATOM 485 CB ASP A 29 -6.918 6.352 5.627 1.00 0.00 C ATOM 486 CG ASP A 29 -8.439 6.349 5.789 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.185 6.497 4.809 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.858 6.185 6.997 1.00 0.00 O ATOM 0 H ASP A 29 -5.073 6.991 7.232 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.955 8.024 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.669 5.883 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.483 5.732 6.411 1.00 0.00 H new ATOM 494 N PRO A 30 -7.546 8.573 7.572 1.00 0.00 N ATOM 495 CA PRO A 30 -8.496 9.440 8.249 1.00 0.00 C ATOM 496 C PRO A 30 -7.898 10.830 8.484 1.00 0.00 C ATOM 497 O PRO A 30 -8.621 11.776 8.793 1.00 0.00 O ATOM 498 CB PRO A 30 -8.843 8.716 9.539 1.00 0.00 C ATOM 499 CG PRO A 30 -7.732 7.703 9.758 1.00 0.00 C ATOM 500 CD PRO A 30 -6.947 7.581 8.462 1.00 0.00 C ATOM 0 HA PRO A 30 -9.394 9.622 7.658 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.906 9.414 10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.812 8.223 9.462 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.079 8.023 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.148 6.737 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.887 7.780 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.024 6.577 8.045 1.00 0.00 H new ATOM 508 N ARG A 31 -6.586 10.907 8.329 1.00 0.00 N ATOM 509 CA ARG A 31 -5.882 12.165 8.521 1.00 0.00 C ATOM 510 C ARG A 31 -6.014 13.043 7.274 1.00 0.00 C ATOM 511 O ARG A 31 -6.237 14.246 7.380 1.00 0.00 O ATOM 512 CB ARG A 31 -4.399 11.927 8.814 1.00 0.00 C ATOM 513 CG ARG A 31 -4.016 12.489 10.184 1.00 0.00 C ATOM 514 CD ARG A 31 -2.712 11.865 10.688 1.00 0.00 C ATOM 515 NE ARG A 31 -2.281 12.531 11.937 1.00 0.00 N ATOM 516 CZ ARG A 31 -1.057 12.386 12.489 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.132 11.595 11.906 1.00 0.00 N ATOM 518 NH2 ARG A 31 -0.779 13.028 13.608 1.00 0.00 N ATOM 0 H ARG A 31 -5.990 10.120 8.073 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.333 12.670 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.185 10.859 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.791 12.397 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.904 13.571 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.816 12.294 10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.854 10.799 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.936 11.961 9.929 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.950 13.138 12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.355 11.101 11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.790 11.491 12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.484 13.623 14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.141 12.929 14.038 1.00 0.00 H new ATOM 531 N LEU A 32 -5.870 12.404 6.123 1.00 0.00 N ATOM 532 CA LEU A 32 -5.970 13.111 4.857 1.00 0.00 C ATOM 533 C LEU A 32 -7.428 13.508 4.613 1.00 0.00 C ATOM 534 O LEU A 32 -7.703 14.455 3.879 1.00 0.00 O ATOM 535 CB LEU A 32 -5.362 12.277 3.727 1.00 0.00 C ATOM 536 CG LEU A 32 -3.900 11.864 3.911 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.606 10.553 3.179 1.00 0.00 C ATOM 538 CD2 LEU A 32 -2.954 12.986 3.480 1.00 0.00 C ATOM 0 H LEU A 32 -5.685 11.404 6.040 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.389 14.033 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.961 11.375 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.445 12.843 2.799 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.726 11.687 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.561 10.281 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.245 9.764 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.803 10.679 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.922 12.666 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.121 13.219 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.144 13.874 4.083 1.00 0.00 H new ATOM 550 N GLY A 33 -8.324 12.762 5.243 1.00 0.00 N ATOM 551 CA GLY A 33 -9.746 13.023 5.104 1.00 0.00 C ATOM 552 C GLY A 33 -10.314 12.323 3.867 1.00 0.00 C ATOM 553 O GLY A 33 -11.282 12.794 3.272 1.00 0.00 O ATOM 0 H GLY A 33 -8.092 11.977 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.271 12.678 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.917 14.097 5.029 1.00 0.00 H new ATOM 557 N MET A 34 -9.686 11.209 3.517 1.00 0.00 N ATOM 558 CA MET A 34 -10.117 10.439 2.362 1.00 0.00 C ATOM 559 C MET A 34 -9.921 8.940 2.599 1.00 0.00 C ATOM 560 O MET A 34 -9.324 8.538 3.596 1.00 0.00 O ATOM 561 CB MET A 34 -9.316 10.872 1.133 1.00 0.00 C ATOM 562 CG MET A 34 -9.776 12.242 0.633 1.00 0.00 C ATOM 563 SD MET A 34 -8.927 13.535 1.526 1.00 0.00 S ATOM 564 CE MET A 34 -7.395 13.588 0.610 1.00 0.00 C ATOM 0 H MET A 34 -8.883 10.822 4.013 1.00 0.00 H new ATOM 0 HA MET A 34 -11.178 10.626 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.255 10.909 1.381 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.433 10.134 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.576 12.334 -0.435 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.853 12.344 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.574 13.280 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.458 12.913 -0.244 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.217 14.604 0.257 1.00 0.00 H new ATOM 574 N MET A 35 -10.436 8.154 1.664 1.00 0.00 N ATOM 575 CA MET A 35 -10.324 6.709 1.759 1.00 0.00 C ATOM 576 C MET A 35 -9.485 6.148 0.609 1.00 0.00 C ATOM 577 O MET A 35 -9.952 6.072 -0.526 1.00 0.00 O ATOM 578 CB MET A 35 -11.721 6.086 1.722 1.00 0.00 C ATOM 579 CG MET A 35 -11.775 4.813 2.569 1.00 0.00 C ATOM 580 SD MET A 35 -13.391 4.065 2.445 1.00 0.00 S ATOM 581 CE MET A 35 -14.045 4.466 4.055 1.00 0.00 C ATOM 0 H MET A 35 -10.931 8.491 0.838 1.00 0.00 H new ATOM 0 HA MET A 35 -9.830 6.462 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.453 6.804 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.993 5.854 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.013 4.110 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.553 5.049 3.610 1.00 0.00 H new ATOM 0 HE1 MET A 35 -15.056 4.069 4.146 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.412 4.025 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 35 -14.067 5.549 4.179 1.00 0.00 H new ATOM 591 N THR A 36 -8.260 5.769 0.943 1.00 0.00 N ATOM 592 CA THR A 36 -7.351 5.216 -0.047 1.00 0.00 C ATOM 593 C THR A 36 -7.786 3.804 -0.440 1.00 0.00 C ATOM 594 O THR A 36 -8.499 3.138 0.309 1.00 0.00 O ATOM 595 CB THR A 36 -5.934 5.279 0.525 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.035 4.608 1.778 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.514 6.703 0.900 1.00 0.00 C ATOM 0 H THR A 36 -7.876 5.834 1.886 1.00 0.00 H new ATOM 0 HA THR A 36 -7.370 5.796 -0.970 1.00 0.00 H new ATOM 0 HB THR A 36 -5.232 4.873 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.159 4.601 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.500 6.690 1.301 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.546 7.337 0.014 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.197 7.097 1.653 1.00 0.00 H new ATOM 605 N THR A 37 -7.337 3.387 -1.616 1.00 0.00 N ATOM 606 CA THR A 37 -7.670 2.065 -2.118 1.00 0.00 C ATOM 607 C THR A 37 -6.427 1.383 -2.693 1.00 0.00 C ATOM 608 O THR A 37 -5.434 2.045 -2.992 1.00 0.00 O ATOM 609 CB THR A 37 -8.805 2.218 -3.135 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.976 2.336 -2.332 1.00 0.00 O ATOM 611 CG2 THR A 37 -9.037 0.943 -3.947 1.00 0.00 C ATOM 0 H THR A 37 -6.746 3.942 -2.235 1.00 0.00 H new ATOM 0 HA THR A 37 -8.017 1.413 -1.316 1.00 0.00 H new ATOM 0 HB THR A 37 -8.579 3.043 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.760 2.441 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.852 1.104 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.128 0.689 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.297 0.125 -3.274 1.00 0.00 H new ATOM 619 N VAL A 38 -6.522 0.069 -2.831 1.00 0.00 N ATOM 620 CA VAL A 38 -5.417 -0.710 -3.364 1.00 0.00 C ATOM 621 C VAL A 38 -5.830 -1.322 -4.704 1.00 0.00 C ATOM 622 O VAL A 38 -6.331 -2.445 -4.749 1.00 0.00 O ATOM 623 CB VAL A 38 -4.972 -1.755 -2.341 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.817 -2.599 -2.885 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.591 -1.097 -1.013 1.00 0.00 C ATOM 0 H VAL A 38 -7.347 -0.476 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.554 -0.071 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.815 -2.420 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.520 -3.334 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.137 -3.112 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.970 -1.952 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.278 -1.863 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.771 -0.397 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.452 -0.561 -0.612 1.00 0.00 H new ATOM 635 N SER A 39 -5.607 -0.557 -5.762 1.00 0.00 N ATOM 636 CA SER A 39 -5.950 -1.010 -7.100 1.00 0.00 C ATOM 637 C SER A 39 -4.769 -1.763 -7.716 1.00 0.00 C ATOM 638 O SER A 39 -4.665 -1.867 -8.937 1.00 0.00 O ATOM 639 CB SER A 39 -6.355 0.164 -7.992 1.00 0.00 C ATOM 640 OG SER A 39 -7.625 -0.045 -8.606 1.00 0.00 O ATOM 0 H SER A 39 -5.193 0.374 -5.720 1.00 0.00 H new ATOM 0 HA SER A 39 -6.803 -1.684 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.386 1.077 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.599 0.311 -8.763 1.00 0.00 H new ATOM 0 HG SER A 39 -7.849 0.727 -9.166 1.00 0.00 H new ATOM 646 N GLY A 40 -3.910 -2.268 -6.844 1.00 0.00 N ATOM 647 CA GLY A 40 -2.740 -3.006 -7.287 1.00 0.00 C ATOM 648 C GLY A 40 -1.987 -3.608 -6.098 1.00 0.00 C ATOM 649 O GLY A 40 -1.832 -2.957 -5.066 1.00 0.00 O ATOM 0 H GLY A 40 -4.001 -2.181 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.044 -3.800 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.077 -2.343 -7.844 1.00 0.00 H new ATOM 653 N VAL A 41 -1.542 -4.841 -6.283 1.00 0.00 N ATOM 654 CA VAL A 41 -0.809 -5.536 -5.239 1.00 0.00 C ATOM 655 C VAL A 41 0.181 -6.512 -5.878 1.00 0.00 C ATOM 656 O VAL A 41 -0.208 -7.360 -6.680 1.00 0.00 O ATOM 657 CB VAL A 41 -1.787 -6.221 -4.281 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.803 -7.069 -5.048 1.00 0.00 C ATOM 659 CG2 VAL A 41 -1.040 -7.063 -3.244 1.00 0.00 C ATOM 0 H VAL A 41 -1.675 -5.377 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.231 -4.829 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.335 -5.443 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.486 -7.544 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.369 -6.432 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.280 -7.835 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.758 -7.539 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.454 -7.829 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.375 -6.422 -2.665 1.00 0.00 H new ATOM 669 N GLU A 42 1.442 -6.358 -5.501 1.00 0.00 N ATOM 670 CA GLU A 42 2.490 -7.215 -6.029 1.00 0.00 C ATOM 671 C GLU A 42 3.469 -7.601 -4.917 1.00 0.00 C ATOM 672 O GLU A 42 3.860 -6.759 -4.110 1.00 0.00 O ATOM 673 CB GLU A 42 3.221 -6.537 -7.190 1.00 0.00 C ATOM 674 CG GLU A 42 2.268 -6.277 -8.359 1.00 0.00 C ATOM 675 CD GLU A 42 2.552 -7.233 -9.520 1.00 0.00 C ATOM 676 OE1 GLU A 42 2.743 -8.438 -9.299 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.571 -6.683 -10.686 1.00 0.00 O ATOM 0 H GLU A 42 1.761 -5.653 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 42 2.029 -8.124 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.654 -5.595 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.047 -7.166 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.237 -6.399 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.374 -5.246 -8.697 1.00 0.00 H new ATOM 685 N MET A 43 3.836 -8.874 -4.912 1.00 0.00 N ATOM 686 CA MET A 43 4.760 -9.381 -3.913 1.00 0.00 C ATOM 687 C MET A 43 5.764 -10.353 -4.539 1.00 0.00 C ATOM 688 O MET A 43 5.415 -11.485 -4.868 1.00 0.00 O ATOM 689 CB MET A 43 3.978 -10.097 -2.809 1.00 0.00 C ATOM 690 CG MET A 43 2.505 -9.684 -2.825 1.00 0.00 C ATOM 691 SD MET A 43 1.748 -10.063 -1.254 1.00 0.00 S ATOM 692 CE MET A 43 1.090 -8.456 -0.834 1.00 0.00 C ATOM 0 H MET A 43 3.510 -9.569 -5.584 1.00 0.00 H new ATOM 0 HA MET A 43 5.310 -8.539 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.058 -11.176 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.415 -9.862 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.420 -8.617 -3.031 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.981 -10.206 -3.626 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.487 -8.141 0.131 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.378 -7.734 -1.598 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.003 -8.511 -0.778 1.00 0.00 H new ATOM 702 N SER A 44 6.991 -9.873 -4.683 1.00 0.00 N ATOM 703 CA SER A 44 8.047 -10.685 -5.265 1.00 0.00 C ATOM 704 C SER A 44 8.984 -11.188 -4.164 1.00 0.00 C ATOM 705 O SER A 44 9.773 -10.420 -3.618 1.00 0.00 O ATOM 706 CB SER A 44 8.834 -9.896 -6.313 1.00 0.00 C ATOM 707 OG SER A 44 8.812 -10.533 -7.588 1.00 0.00 O ATOM 0 H SER A 44 7.277 -8.934 -4.407 1.00 0.00 H new ATOM 0 HA SER A 44 7.589 -11.539 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.416 -8.893 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.866 -9.783 -5.982 1.00 0.00 H new ATOM 0 HG SER A 44 9.324 -9.998 -8.230 1.00 0.00 H new ATOM 713 N ARG A 45 8.867 -12.476 -3.876 1.00 0.00 N ATOM 714 CA ARG A 45 9.693 -13.091 -2.850 1.00 0.00 C ATOM 715 C ARG A 45 10.855 -13.853 -3.493 1.00 0.00 C ATOM 716 O ARG A 45 11.754 -14.322 -2.798 1.00 0.00 O ATOM 717 CB ARG A 45 8.876 -14.054 -1.987 1.00 0.00 C ATOM 718 CG ARG A 45 8.172 -13.309 -0.852 1.00 0.00 C ATOM 719 CD ARG A 45 6.659 -13.271 -1.075 1.00 0.00 C ATOM 720 NE ARG A 45 6.169 -14.618 -1.446 1.00 0.00 N ATOM 721 CZ ARG A 45 5.902 -15.598 -0.558 1.00 0.00 C ATOM 722 NH1 ARG A 45 6.076 -15.389 0.765 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.469 -16.763 -1.000 1.00 0.00 N ATOM 0 H ARG A 45 8.213 -13.110 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 45 10.081 -12.295 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.137 -14.565 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.530 -14.821 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.391 -13.796 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.559 -12.292 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.158 -12.929 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.417 -12.557 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 45 6.024 -14.818 -2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.411 -14.485 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.872 -16.135 1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.340 -16.913 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.263 -17.514 -0.341 1.00 0.00 H new ATOM 736 N ASP A 46 10.798 -13.953 -4.813 1.00 0.00 N ATOM 737 CA ASP A 46 11.832 -14.650 -5.557 1.00 0.00 C ATOM 738 C ASP A 46 13.206 -14.164 -5.087 1.00 0.00 C ATOM 739 O ASP A 46 14.201 -14.870 -5.233 1.00 0.00 O ATOM 740 CB ASP A 46 11.719 -14.368 -7.057 1.00 0.00 C ATOM 741 CG ASP A 46 11.269 -15.558 -7.905 1.00 0.00 C ATOM 742 OD1 ASP A 46 11.757 -16.685 -7.735 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.364 -15.289 -8.784 1.00 0.00 O ATOM 0 H ASP A 46 10.051 -13.562 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 46 11.711 -15.719 -5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.016 -13.548 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.688 -14.027 -7.421 1.00 0.00 H new ATOM 749 N LEU A 47 13.214 -12.960 -4.535 1.00 0.00 N ATOM 750 CA LEU A 47 14.450 -12.371 -4.044 1.00 0.00 C ATOM 751 C LEU A 47 14.157 -11.559 -2.780 1.00 0.00 C ATOM 752 O LEU A 47 14.516 -11.969 -1.678 1.00 0.00 O ATOM 753 CB LEU A 47 15.135 -11.563 -5.148 1.00 0.00 C ATOM 754 CG LEU A 47 16.320 -12.240 -5.838 1.00 0.00 C ATOM 755 CD1 LEU A 47 17.195 -12.979 -4.824 1.00 0.00 C ATOM 756 CD2 LEU A 47 15.846 -13.160 -6.965 1.00 0.00 C ATOM 0 H LEU A 47 12.386 -12.376 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 47 15.158 -13.151 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.391 -11.317 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.479 -10.621 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 47 16.938 -11.466 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.030 -13.452 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.577 -12.271 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.602 -13.742 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.708 -13.629 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.194 -13.931 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.298 -12.577 -7.705 1.00 0.00 H new ATOM 768 N ALA A 48 13.503 -10.424 -2.984 1.00 0.00 N ATOM 769 CA ALA A 48 13.157 -9.552 -1.874 1.00 0.00 C ATOM 770 C ALA A 48 12.672 -8.208 -2.420 1.00 0.00 C ATOM 771 O ALA A 48 13.267 -7.168 -2.141 1.00 0.00 O ATOM 772 CB ALA A 48 14.364 -9.402 -0.945 1.00 0.00 C ATOM 0 H ALA A 48 13.204 -10.089 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 48 12.346 -9.983 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.104 -8.748 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.651 -10.381 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.198 -8.970 -1.499 1.00 0.00 H new ATOM 778 N TYR A 49 11.594 -8.272 -3.188 1.00 0.00 N ATOM 779 CA TYR A 49 11.021 -7.073 -3.776 1.00 0.00 C ATOM 780 C TYR A 49 9.502 -7.196 -3.902 1.00 0.00 C ATOM 781 O TYR A 49 8.994 -8.197 -4.405 1.00 0.00 O ATOM 782 CB TYR A 49 11.629 -6.958 -5.176 1.00 0.00 C ATOM 783 CG TYR A 49 13.079 -7.438 -5.266 1.00 0.00 C ATOM 784 CD1 TYR A 49 14.057 -6.824 -4.511 1.00 0.00 C ATOM 785 CD2 TYR A 49 13.408 -8.484 -6.103 1.00 0.00 C ATOM 786 CE1 TYR A 49 15.422 -7.277 -4.596 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.772 -8.938 -6.188 1.00 0.00 C ATOM 788 CZ TYR A 49 15.713 -8.309 -5.431 1.00 0.00 C ATOM 789 OH TYR A 49 17.001 -8.737 -5.511 1.00 0.00 O ATOM 0 H TYR A 49 11.102 -9.136 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 49 11.233 -6.203 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.022 -7.536 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.581 -5.918 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.799 -6.004 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.642 -8.963 -6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.197 -6.807 -4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.042 -9.758 -6.837 1.00 0.00 H new ATOM 0 HH TYR A 49 17.450 -8.584 -4.654 1.00 0.00 H new ATOM 799 N ALA A 50 8.816 -6.162 -3.435 1.00 0.00 N ATOM 800 CA ALA A 50 7.365 -6.142 -3.488 1.00 0.00 C ATOM 801 C ALA A 50 6.895 -4.763 -3.957 1.00 0.00 C ATOM 802 O ALA A 50 7.638 -3.788 -3.869 1.00 0.00 O ATOM 803 CB ALA A 50 6.798 -6.515 -2.116 1.00 0.00 C ATOM 0 H ALA A 50 9.239 -5.333 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 50 6.997 -6.877 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.709 -6.500 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.137 -7.514 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.144 -5.797 -1.372 1.00 0.00 H new ATOM 809 N LYS A 51 5.663 -4.728 -4.445 1.00 0.00 N ATOM 810 CA LYS A 51 5.086 -3.484 -4.928 1.00 0.00 C ATOM 811 C LYS A 51 3.607 -3.430 -4.540 1.00 0.00 C ATOM 812 O LYS A 51 2.810 -4.244 -5.004 1.00 0.00 O ATOM 813 CB LYS A 51 5.335 -3.326 -6.429 1.00 0.00 C ATOM 814 CG LYS A 51 6.528 -4.170 -6.879 1.00 0.00 C ATOM 815 CD LYS A 51 6.930 -3.831 -8.316 1.00 0.00 C ATOM 816 CE LYS A 51 8.361 -3.292 -8.374 1.00 0.00 C ATOM 817 NZ LYS A 51 8.971 -3.586 -9.690 1.00 0.00 N ATOM 0 H LYS A 51 5.049 -5.540 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 51 5.571 -2.629 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.445 -3.625 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.518 -2.277 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.372 -3.998 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.276 -5.228 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.848 -4.721 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.242 -3.091 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.358 -2.216 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.958 -3.742 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.942 -3.214 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.991 -4.615 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.410 -3.136 -10.441 1.00 0.00 H new ATOM 830 N VAL A 52 3.285 -2.462 -3.694 1.00 0.00 N ATOM 831 CA VAL A 52 1.915 -2.291 -3.240 1.00 0.00 C ATOM 832 C VAL A 52 1.370 -0.961 -3.767 1.00 0.00 C ATOM 833 O VAL A 52 1.909 0.100 -3.458 1.00 0.00 O ATOM 834 CB VAL A 52 1.854 -2.401 -1.715 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.058 -1.033 -1.058 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.535 -3.034 -1.263 1.00 0.00 C ATOM 0 H VAL A 52 3.949 -1.789 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 52 1.278 -3.082 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 52 2.667 -3.053 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.010 -1.139 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.033 -0.635 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.277 -0.350 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.517 -3.101 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.299 -2.419 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.446 -4.033 -1.689 1.00 0.00 H new ATOM 846 N TYR A 53 0.308 -1.065 -4.550 1.00 0.00 N ATOM 847 CA TYR A 53 -0.316 0.117 -5.123 1.00 0.00 C ATOM 848 C TYR A 53 -1.321 0.733 -4.146 1.00 0.00 C ATOM 849 O TYR A 53 -1.872 0.038 -3.296 1.00 0.00 O ATOM 850 CB TYR A 53 -1.063 -0.364 -6.369 1.00 0.00 C ATOM 851 CG TYR A 53 -1.678 0.765 -7.199 1.00 0.00 C ATOM 852 CD1 TYR A 53 -2.856 1.359 -6.792 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.055 1.188 -8.356 1.00 0.00 C ATOM 854 CE1 TYR A 53 -3.433 2.422 -7.573 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.633 2.251 -9.137 1.00 0.00 C ATOM 856 CZ TYR A 53 -2.794 2.815 -8.707 1.00 0.00 C ATOM 857 OH TYR A 53 -3.341 3.818 -9.445 1.00 0.00 O ATOM 0 H TYR A 53 -0.137 -1.948 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 53 0.433 0.876 -5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.375 -0.930 -6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.854 -1.050 -6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.345 1.026 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.135 0.722 -8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.353 2.897 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.156 2.593 -10.044 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.850 3.908 -10.289 1.00 0.00 H new ATOM 867 N VAL A 54 -1.529 2.032 -4.304 1.00 0.00 N ATOM 868 CA VAL A 54 -2.457 2.751 -3.448 1.00 0.00 C ATOM 869 C VAL A 54 -2.913 4.027 -4.155 1.00 0.00 C ATOM 870 O VAL A 54 -2.090 4.795 -4.651 1.00 0.00 O ATOM 871 CB VAL A 54 -1.813 3.019 -2.086 1.00 0.00 C ATOM 872 CG1 VAL A 54 -2.691 2.489 -0.951 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.407 2.419 -2.018 1.00 0.00 C ATOM 0 H VAL A 54 -1.071 2.605 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.346 2.149 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.723 4.098 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.210 2.692 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.662 2.983 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.827 1.414 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.029 2.623 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.463 1.341 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.216 2.864 -2.793 1.00 0.00 H new ATOM 883 N THR A 55 -4.224 4.217 -4.181 1.00 0.00 N ATOM 884 CA THR A 55 -4.800 5.388 -4.819 1.00 0.00 C ATOM 885 C THR A 55 -5.498 6.272 -3.783 1.00 0.00 C ATOM 886 O THR A 55 -6.294 5.784 -2.983 1.00 0.00 O ATOM 887 CB THR A 55 -5.731 4.909 -5.935 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.805 5.845 -5.917 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.397 3.571 -5.608 1.00 0.00 C ATOM 0 H THR A 55 -4.905 3.578 -3.770 1.00 0.00 H new ATOM 0 HA THR A 55 -4.028 6.014 -5.266 1.00 0.00 H new ATOM 0 HB THR A 55 -5.167 4.816 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.586 5.455 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.047 3.277 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.631 2.810 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.988 3.672 -4.698 1.00 0.00 H new ATOM 897 N PHE A 56 -5.173 7.555 -3.832 1.00 0.00 N ATOM 898 CA PHE A 56 -5.759 8.511 -2.909 1.00 0.00 C ATOM 899 C PHE A 56 -6.509 9.613 -3.661 1.00 0.00 C ATOM 900 O PHE A 56 -6.265 9.836 -4.846 1.00 0.00 O ATOM 901 CB PHE A 56 -4.606 9.140 -2.125 1.00 0.00 C ATOM 902 CG PHE A 56 -3.524 8.144 -1.704 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.860 6.861 -1.402 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.225 8.542 -1.632 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.855 5.937 -1.011 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.220 7.616 -1.241 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.557 6.334 -0.939 1.00 0.00 C ATOM 0 H PHE A 56 -4.511 7.955 -4.497 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.470 8.007 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.150 9.921 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.007 9.623 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.891 6.545 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.958 9.561 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.122 4.918 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.189 7.931 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.793 5.631 -0.642 1.00 0.00 H new ATOM 917 N LEU A 57 -7.405 10.272 -2.941 1.00 0.00 N ATOM 918 CA LEU A 57 -8.192 11.344 -3.527 1.00 0.00 C ATOM 919 C LEU A 57 -7.651 12.690 -3.041 1.00 0.00 C ATOM 920 O LEU A 57 -8.393 13.667 -2.956 1.00 0.00 O ATOM 921 CB LEU A 57 -9.680 11.138 -3.234 1.00 0.00 C ATOM 922 CG LEU A 57 -10.648 11.997 -4.049 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.210 11.213 -5.237 1.00 0.00 C ATOM 924 CD2 LEU A 57 -11.757 12.565 -3.161 1.00 0.00 C ATOM 0 H LEU A 57 -7.603 10.085 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.100 11.335 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.922 10.089 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.853 11.335 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.095 12.844 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.895 11.847 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.392 10.898 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.744 10.335 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.432 13.172 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.314 11.746 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.316 13.182 -2.378 1.00 0.00 H new ATOM 936 N ASN A 58 -6.361 12.698 -2.738 1.00 0.00 N ATOM 937 CA ASN A 58 -5.712 13.910 -2.264 1.00 0.00 C ATOM 938 C ASN A 58 -5.658 14.932 -3.400 1.00 0.00 C ATOM 939 O ASN A 58 -5.591 16.135 -3.154 1.00 0.00 O ATOM 940 CB ASN A 58 -4.278 13.625 -1.815 1.00 0.00 C ATOM 941 CG ASN A 58 -4.161 13.666 -0.290 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.577 12.796 0.338 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.748 14.720 0.269 1.00 0.00 N ATOM 0 H ASN A 58 -5.748 11.886 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.285 14.293 -1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.967 12.647 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.603 14.359 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.727 14.838 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.219 15.411 -0.315 1.00 0.00 H new ATOM 950 N ASP A 59 -5.690 14.416 -4.620 1.00 0.00 N ATOM 951 CA ASP A 59 -5.644 15.269 -5.795 1.00 0.00 C ATOM 952 C ASP A 59 -6.562 16.475 -5.580 1.00 0.00 C ATOM 953 O ASP A 59 -6.225 17.593 -5.966 1.00 0.00 O ATOM 954 CB ASP A 59 -6.132 14.522 -7.038 1.00 0.00 C ATOM 955 CG ASP A 59 -6.564 15.415 -8.203 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.760 15.677 -8.396 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.600 15.856 -8.938 1.00 0.00 O ATOM 0 H ASP A 59 -5.747 13.417 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.611 15.582 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.336 13.862 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.972 13.888 -6.755 1.00 0.00 H new ATOM 963 N LYS A 60 -7.704 16.207 -4.963 1.00 0.00 N ATOM 964 CA LYS A 60 -8.672 17.256 -4.692 1.00 0.00 C ATOM 965 C LYS A 60 -7.934 18.528 -4.270 1.00 0.00 C ATOM 966 O LYS A 60 -8.267 19.622 -4.723 1.00 0.00 O ATOM 967 CB LYS A 60 -9.707 16.778 -3.671 1.00 0.00 C ATOM 968 CG LYS A 60 -10.974 16.281 -4.368 1.00 0.00 C ATOM 969 CD LYS A 60 -12.194 17.099 -3.938 1.00 0.00 C ATOM 970 CE LYS A 60 -12.787 16.559 -2.635 1.00 0.00 C ATOM 971 NZ LYS A 60 -14.019 15.788 -2.907 1.00 0.00 N ATOM 0 H LYS A 60 -7.980 15.279 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.235 17.498 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.283 15.977 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.957 17.593 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.849 16.349 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.135 15.229 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.908 18.143 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.949 17.072 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.057 15.924 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.010 17.385 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.408 15.429 -2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.720 16.404 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.797 14.988 -3.534 1.00 0.00 H new ATOM 984 N ASP A 61 -6.945 18.343 -3.408 1.00 0.00 N ATOM 985 CA ASP A 61 -6.158 19.462 -2.920 1.00 0.00 C ATOM 986 C ASP A 61 -4.671 19.164 -3.128 1.00 0.00 C ATOM 987 O ASP A 61 -4.145 18.198 -2.577 1.00 0.00 O ATOM 988 CB ASP A 61 -6.389 19.687 -1.424 1.00 0.00 C ATOM 989 CG ASP A 61 -7.745 19.211 -0.900 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.898 18.052 -0.487 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.682 20.097 -0.929 1.00 0.00 O ATOM 0 H ASP A 61 -6.671 17.434 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.461 20.353 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.602 19.176 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.288 20.751 -1.212 1.00 0.00 H new ATOM 997 N GLU A 62 -4.037 20.010 -3.925 1.00 0.00 N ATOM 998 CA GLU A 62 -2.622 19.849 -4.214 1.00 0.00 C ATOM 999 C GLU A 62 -1.792 20.092 -2.951 1.00 0.00 C ATOM 1000 O GLU A 62 -0.640 19.669 -2.870 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.183 20.780 -5.345 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.846 20.331 -5.938 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.324 21.355 -6.948 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.455 22.247 -6.581 1.00 0.00 O ATOM 1005 OE2 GLU A 62 -0.755 21.199 -8.155 1.00 0.00 O ATOM 0 H GLU A 62 -4.477 20.810 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.454 18.824 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.944 20.794 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.094 21.799 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.116 20.198 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.966 19.363 -6.425 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.411 20.772 -1.997 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.744 21.077 -0.743 1.00 0.00 C ATOM 1015 C ASP A 63 -1.666 19.808 0.109 1.00 0.00 C ATOM 1016 O ASP A 63 -0.642 19.537 0.734 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.516 22.133 0.050 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.678 23.313 0.542 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.059 23.254 1.616 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.675 24.342 -0.236 1.00 0.00 O ATOM 0 H ASP A 63 -3.367 21.120 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.749 21.457 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.324 22.516 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.979 21.652 0.911 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.762 19.064 0.107 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.831 17.831 0.873 1.00 0.00 C ATOM 1028 C ALA A 64 -2.155 16.708 0.084 1.00 0.00 C ATOM 1029 O ALA A 64 -1.762 15.694 0.656 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.292 17.515 1.201 1.00 0.00 C ATOM 0 H ALA A 64 -3.610 19.291 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.300 17.936 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.344 16.590 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.718 18.330 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.856 17.399 0.275 1.00 0.00 H new ATOM 1036 N VAL A 65 -2.041 16.929 -1.217 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.418 15.947 -2.090 1.00 0.00 C ATOM 1038 C VAL A 65 0.101 16.019 -1.929 1.00 0.00 C ATOM 1039 O VAL A 65 0.774 14.989 -1.888 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.877 16.165 -3.533 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.791 16.861 -4.356 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.295 14.844 -4.182 1.00 0.00 C ATOM 0 H VAL A 65 -2.369 17.772 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.727 14.939 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.750 16.818 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.144 17.003 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.563 17.830 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.109 16.246 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.617 15.028 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.449 14.156 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.117 14.405 -3.617 1.00 0.00 H new ATOM 1052 N LYS A 66 0.599 17.243 -1.844 1.00 0.00 N ATOM 1053 CA LYS A 66 2.026 17.463 -1.688 1.00 0.00 C ATOM 1054 C LYS A 66 2.432 17.146 -0.249 1.00 0.00 C ATOM 1055 O LYS A 66 3.381 16.397 -0.017 1.00 0.00 O ATOM 1056 CB LYS A 66 2.403 18.877 -2.137 1.00 0.00 C ATOM 1057 CG LYS A 66 3.775 18.889 -2.815 1.00 0.00 C ATOM 1058 CD LYS A 66 3.640 19.132 -4.320 1.00 0.00 C ATOM 1059 CE LYS A 66 4.838 19.916 -4.858 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.067 19.091 -4.799 1.00 0.00 N ATOM 0 H LYS A 66 0.038 18.094 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 66 2.588 16.788 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.649 19.257 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.413 19.545 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.397 19.667 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.280 17.939 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.562 18.178 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.721 19.682 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.647 20.222 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.976 20.827 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.867 19.632 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.266 18.834 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.932 18.226 -5.361 1.00 0.00 H new ATOM 1073 N ALA A 67 1.693 17.730 0.684 1.00 0.00 N ATOM 1074 CA ALA A 67 1.966 17.519 2.096 1.00 0.00 C ATOM 1075 C ALA A 67 1.660 16.065 2.458 1.00 0.00 C ATOM 1076 O ALA A 67 2.486 15.385 3.063 1.00 0.00 O ATOM 1077 CB ALA A 67 1.150 18.512 2.926 1.00 0.00 C ATOM 0 H ALA A 67 0.906 18.349 0.490 1.00 0.00 H new ATOM 0 HA ALA A 67 3.019 17.698 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.354 18.355 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.426 19.530 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.088 18.360 2.734 1.00 0.00 H new ATOM 1083 N GLY A 68 0.469 15.630 2.071 1.00 0.00 N ATOM 1084 CA GLY A 68 0.042 14.269 2.348 1.00 0.00 C ATOM 1085 C GLY A 68 1.055 13.258 1.808 1.00 0.00 C ATOM 1086 O GLY A 68 1.633 12.485 2.571 1.00 0.00 O ATOM 0 H GLY A 68 -0.214 16.197 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.076 14.132 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.933 14.090 1.895 1.00 0.00 H new ATOM 1090 N ILE A 69 1.239 13.295 0.496 1.00 0.00 N ATOM 1091 CA ILE A 69 2.173 12.391 -0.154 1.00 0.00 C ATOM 1092 C ILE A 69 3.539 12.500 0.525 1.00 0.00 C ATOM 1093 O ILE A 69 4.232 11.499 0.699 1.00 0.00 O ATOM 1094 CB ILE A 69 2.212 12.655 -1.660 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.652 11.405 -2.425 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.094 13.863 -1.983 1.00 0.00 C ATOM 1097 CD1 ILE A 69 1.839 11.233 -3.710 1.00 0.00 C ATOM 0 H ILE A 69 0.757 13.936 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 69 1.844 11.358 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 69 1.201 12.896 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.712 11.478 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.530 10.526 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.104 14.028 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.697 14.747 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.110 13.675 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.172 10.337 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.782 11.136 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.983 12.103 -4.351 1.00 0.00 H new ATOM 1109 N LYS A 70 3.887 13.725 0.892 1.00 0.00 N ATOM 1110 CA LYS A 70 5.158 13.978 1.547 1.00 0.00 C ATOM 1111 C LYS A 70 5.205 13.213 2.871 1.00 0.00 C ATOM 1112 O LYS A 70 6.266 12.750 3.288 1.00 0.00 O ATOM 1113 CB LYS A 70 5.394 15.482 1.699 1.00 0.00 C ATOM 1114 CG LYS A 70 6.626 15.761 2.563 1.00 0.00 C ATOM 1115 CD LYS A 70 6.842 17.265 2.740 1.00 0.00 C ATOM 1116 CE LYS A 70 8.195 17.694 2.169 1.00 0.00 C ATOM 1117 NZ LYS A 70 8.005 18.563 0.984 1.00 0.00 N ATOM 0 H LYS A 70 3.310 14.553 0.748 1.00 0.00 H new ATOM 0 HA LYS A 70 5.981 13.610 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.525 15.934 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.517 15.947 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.505 15.290 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.507 15.315 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.042 17.812 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.792 17.521 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.766 18.226 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.776 16.814 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.933 18.846 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.479 18.043 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.470 19.411 1.258 1.00 0.00 H new ATOM 1130 N ALA A 71 4.042 13.101 3.496 1.00 0.00 N ATOM 1131 CA ALA A 71 3.937 12.400 4.763 1.00 0.00 C ATOM 1132 C ALA A 71 3.951 10.891 4.509 1.00 0.00 C ATOM 1133 O ALA A 71 4.589 10.139 5.242 1.00 0.00 O ATOM 1134 CB ALA A 71 2.674 12.855 5.497 1.00 0.00 C ATOM 0 H ALA A 71 3.164 13.485 3.147 1.00 0.00 H new ATOM 0 HA ALA A 71 4.788 12.635 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.596 12.328 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.726 13.928 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.799 12.633 4.887 1.00 0.00 H new ATOM 1140 N LEU A 72 3.236 10.493 3.465 1.00 0.00 N ATOM 1141 CA LEU A 72 3.158 9.088 3.105 1.00 0.00 C ATOM 1142 C LEU A 72 4.533 8.608 2.638 1.00 0.00 C ATOM 1143 O LEU A 72 4.811 7.409 2.644 1.00 0.00 O ATOM 1144 CB LEU A 72 2.046 8.859 2.079 1.00 0.00 C ATOM 1145 CG LEU A 72 1.219 7.585 2.258 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.271 7.912 2.379 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.496 6.587 1.133 1.00 0.00 C ATOM 0 H LEU A 72 2.707 11.119 2.858 1.00 0.00 H new ATOM 0 HA LEU A 72 2.888 8.487 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.370 9.714 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.494 8.841 1.085 1.00 0.00 H new ATOM 0 HG LEU A 72 1.523 7.110 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.837 6.989 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.433 8.558 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.606 8.422 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.895 5.691 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.238 7.038 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.553 6.320 1.136 1.00 0.00 H new ATOM 1159 N GLN A 73 5.359 9.567 2.248 1.00 0.00 N ATOM 1160 CA GLN A 73 6.699 9.257 1.780 1.00 0.00 C ATOM 1161 C GLN A 73 7.656 9.115 2.965 1.00 0.00 C ATOM 1162 O GLN A 73 8.391 8.133 3.059 1.00 0.00 O ATOM 1163 CB GLN A 73 7.196 10.321 0.799 1.00 0.00 C ATOM 1164 CG GLN A 73 7.672 9.682 -0.508 1.00 0.00 C ATOM 1165 CD GLN A 73 8.695 10.573 -1.213 1.00 0.00 C ATOM 1166 OE1 GLN A 73 8.363 11.435 -2.010 1.00 0.00 O ATOM 1167 NE2 GLN A 73 9.958 10.317 -0.878 1.00 0.00 N ATOM 0 H GLN A 73 5.126 10.560 2.246 1.00 0.00 H new ATOM 0 HA GLN A 73 6.666 8.306 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.396 11.031 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.012 10.885 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.115 8.708 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.819 9.511 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.168 9.581 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.716 10.857 -1.296 1.00 0.00 H new ATOM 1176 N GLU A 74 7.615 10.108 3.841 1.00 0.00 N ATOM 1177 CA GLU A 74 8.468 10.107 5.017 1.00 0.00 C ATOM 1178 C GLU A 74 8.160 8.891 5.893 1.00 0.00 C ATOM 1179 O GLU A 74 9.031 8.404 6.614 1.00 0.00 O ATOM 1180 CB GLU A 74 8.316 11.406 5.808 1.00 0.00 C ATOM 1181 CG GLU A 74 7.126 11.328 6.768 1.00 0.00 C ATOM 1182 CD GLU A 74 7.582 10.944 8.175 1.00 0.00 C ATOM 1183 OE1 GLU A 74 8.672 10.377 8.341 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.760 11.255 9.119 1.00 0.00 O ATOM 0 H GLU A 74 7.003 10.920 3.760 1.00 0.00 H new ATOM 0 HA GLU A 74 9.505 10.042 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.229 11.603 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.179 12.241 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.614 12.290 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.407 10.595 6.402 1.00 0.00 H new ATOM 1192 N ALA A 75 6.919 8.435 5.804 1.00 0.00 N ATOM 1193 CA ALA A 75 6.485 7.287 6.580 1.00 0.00 C ATOM 1194 C ALA A 75 6.596 6.025 5.721 1.00 0.00 C ATOM 1195 O ALA A 75 6.019 4.991 6.054 1.00 0.00 O ATOM 1196 CB ALA A 75 5.062 7.522 7.090 1.00 0.00 C ATOM 0 H ALA A 75 6.200 8.841 5.205 1.00 0.00 H new ATOM 0 HA ALA A 75 7.124 7.150 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.737 6.660 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.043 8.412 7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.390 7.662 6.243 1.00 0.00 H new ATOM 1202 N SER A 76 7.342 6.151 4.635 1.00 0.00 N ATOM 1203 CA SER A 76 7.537 5.034 3.726 1.00 0.00 C ATOM 1204 C SER A 76 8.084 3.827 4.490 1.00 0.00 C ATOM 1205 O SER A 76 7.357 2.870 4.749 1.00 0.00 O ATOM 1206 CB SER A 76 8.480 5.411 2.583 1.00 0.00 C ATOM 1207 OG SER A 76 9.699 5.974 3.061 1.00 0.00 O ATOM 0 H SER A 76 7.820 7.010 4.363 1.00 0.00 H new ATOM 0 HA SER A 76 6.571 4.774 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.699 4.525 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.985 6.125 1.924 1.00 0.00 H new ATOM 0 HG SER A 76 9.606 6.947 3.126 1.00 0.00 H new ATOM 1213 N GLY A 77 9.362 3.912 4.830 1.00 0.00 N ATOM 1214 CA GLY A 77 10.015 2.838 5.560 1.00 0.00 C ATOM 1215 C GLY A 77 9.209 2.449 6.801 1.00 0.00 C ATOM 1216 O GLY A 77 9.376 1.354 7.335 1.00 0.00 O ATOM 0 H GLY A 77 9.963 4.708 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.131 1.970 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.016 3.151 5.856 1.00 0.00 H new ATOM 1220 N PHE A 78 8.353 3.368 7.222 1.00 0.00 N ATOM 1221 CA PHE A 78 7.521 3.135 8.391 1.00 0.00 C ATOM 1222 C PHE A 78 6.402 2.140 8.078 1.00 0.00 C ATOM 1223 O PHE A 78 6.163 1.207 8.843 1.00 0.00 O ATOM 1224 CB PHE A 78 6.899 4.479 8.773 1.00 0.00 C ATOM 1225 CG PHE A 78 7.442 5.068 10.078 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.160 4.466 11.264 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.205 6.193 10.051 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.665 5.011 12.474 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.709 6.739 11.261 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.428 6.136 12.448 1.00 0.00 C ATOM 0 H PHE A 78 8.217 4.275 6.775 1.00 0.00 H new ATOM 0 HA PHE A 78 8.124 2.721 9.199 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.072 5.190 7.966 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.820 4.356 8.863 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.552 3.574 11.286 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.428 6.672 9.109 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.443 4.531 13.416 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.315 7.633 11.239 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.811 6.551 13.369 1.00 0.00 H new ATOM 1240 N ILE A 79 5.745 2.373 6.951 1.00 0.00 N ATOM 1241 CA ILE A 79 4.657 1.507 6.527 1.00 0.00 C ATOM 1242 C ILE A 79 5.213 0.121 6.196 1.00 0.00 C ATOM 1243 O ILE A 79 4.594 -0.892 6.517 1.00 0.00 O ATOM 1244 CB ILE A 79 3.881 2.150 5.376 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.824 2.584 4.252 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.015 3.309 5.876 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.061 2.785 2.942 1.00 0.00 C ATOM 0 H ILE A 79 5.945 3.148 6.319 1.00 0.00 H new ATOM 0 HA ILE A 79 3.936 1.376 7.334 1.00 0.00 H new ATOM 0 HB ILE A 79 3.207 1.401 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.325 3.511 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.600 1.831 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.475 3.748 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.302 2.939 6.613 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.651 4.067 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.755 3.093 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.581 1.850 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.302 3.555 3.078 1.00 0.00 H new ATOM 1259 N ARG A 80 6.374 0.121 5.558 1.00 0.00 N ATOM 1260 CA ARG A 80 7.018 -1.125 5.179 1.00 0.00 C ATOM 1261 C ARG A 80 7.365 -1.943 6.424 1.00 0.00 C ATOM 1262 O ARG A 80 7.126 -3.148 6.466 1.00 0.00 O ATOM 1263 CB ARG A 80 8.297 -0.863 4.378 1.00 0.00 C ATOM 1264 CG ARG A 80 9.095 -2.152 4.183 1.00 0.00 C ATOM 1265 CD ARG A 80 10.575 -1.850 3.936 1.00 0.00 C ATOM 1266 NE ARG A 80 11.317 -1.873 5.216 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.549 -1.348 5.386 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.187 -0.752 4.357 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.119 -1.425 6.574 1.00 0.00 N ATOM 0 H ARG A 80 6.885 0.963 5.294 1.00 0.00 H new ATOM 0 HA ARG A 80 6.319 -1.683 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.042 -0.439 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.911 -0.126 4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.992 -2.785 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.689 -2.711 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.995 -2.585 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.681 -0.874 3.462 1.00 0.00 H new ATOM 0 HE ARG A 80 10.870 -2.313 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.738 -0.696 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.118 -0.358 4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.629 -1.876 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.050 -1.033 6.720 1.00 0.00 H new ATOM 1282 N SER A 81 7.922 -1.254 7.410 1.00 0.00 N ATOM 1283 CA SER A 81 8.303 -1.901 8.654 1.00 0.00 C ATOM 1284 C SER A 81 7.057 -2.229 9.477 1.00 0.00 C ATOM 1285 O SER A 81 7.060 -3.170 10.270 1.00 0.00 O ATOM 1286 CB SER A 81 9.257 -1.022 9.462 1.00 0.00 C ATOM 1287 OG SER A 81 10.356 -1.766 9.985 1.00 0.00 O ATOM 0 H SER A 81 8.118 -0.254 7.372 1.00 0.00 H new ATOM 0 HA SER A 81 8.824 -2.827 8.412 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.632 -0.218 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.712 -0.555 10.282 1.00 0.00 H new ATOM 0 HG SER A 81 10.943 -1.168 10.493 1.00 0.00 H new ATOM 1293 N LEU A 82 6.019 -1.433 9.261 1.00 0.00 N ATOM 1294 CA LEU A 82 4.767 -1.625 9.974 1.00 0.00 C ATOM 1295 C LEU A 82 4.158 -2.971 9.571 1.00 0.00 C ATOM 1296 O LEU A 82 3.668 -3.714 10.421 1.00 0.00 O ATOM 1297 CB LEU A 82 3.833 -0.435 9.749 1.00 0.00 C ATOM 1298 CG LEU A 82 2.639 -0.330 10.699 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.221 -1.711 11.209 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.933 0.639 11.845 1.00 0.00 C ATOM 0 H LEU A 82 6.020 -0.654 8.602 1.00 0.00 H new ATOM 0 HA LEU A 82 4.942 -1.662 11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.418 0.481 9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.456 -0.483 8.727 1.00 0.00 H new ATOM 0 HG LEU A 82 1.795 0.077 10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.370 -1.608 11.882 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.941 -2.341 10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.053 -2.169 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.068 0.695 12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.797 0.285 12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.144 1.628 11.440 1.00 0.00 H new ATOM 1312 N LEU A 83 4.207 -3.241 8.275 1.00 0.00 N ATOM 1313 CA LEU A 83 3.667 -4.484 7.750 1.00 0.00 C ATOM 1314 C LEU A 83 4.520 -5.655 8.240 1.00 0.00 C ATOM 1315 O LEU A 83 4.024 -6.542 8.932 1.00 0.00 O ATOM 1316 CB LEU A 83 3.539 -4.411 6.228 1.00 0.00 C ATOM 1317 CG LEU A 83 2.920 -3.128 5.666 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.745 -2.589 4.496 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.456 -3.349 5.282 1.00 0.00 C ATOM 0 H LEU A 83 4.612 -2.621 7.573 1.00 0.00 H new ATOM 0 HA LEU A 83 2.657 -4.648 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.531 -4.532 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.939 -5.257 5.893 1.00 0.00 H new ATOM 0 HG LEU A 83 2.936 -2.369 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.284 -1.678 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.757 -2.369 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.782 -3.336 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.040 -2.423 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.393 -4.129 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.891 -3.653 6.163 1.00 0.00 H new ATOM 1331 N GLY A 84 5.789 -5.619 7.864 1.00 0.00 N ATOM 1332 CA GLY A 84 6.716 -6.666 8.256 1.00 0.00 C ATOM 1333 C GLY A 84 6.527 -7.041 9.727 1.00 0.00 C ATOM 1334 O GLY A 84 6.511 -8.222 10.073 1.00 0.00 O ATOM 0 H GLY A 84 6.198 -4.880 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.563 -7.545 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.740 -6.331 8.091 1.00 0.00 H new ATOM 1338 N LYS A 85 6.392 -6.015 10.554 1.00 0.00 N ATOM 1339 CA LYS A 85 6.206 -6.223 11.981 1.00 0.00 C ATOM 1340 C LYS A 85 4.766 -6.670 12.242 1.00 0.00 C ATOM 1341 O LYS A 85 4.524 -7.531 13.087 1.00 0.00 O ATOM 1342 CB LYS A 85 6.611 -4.972 12.761 1.00 0.00 C ATOM 1343 CG LYS A 85 8.092 -5.021 13.145 1.00 0.00 C ATOM 1344 CD LYS A 85 8.479 -3.810 13.995 1.00 0.00 C ATOM 1345 CE LYS A 85 9.823 -3.232 13.547 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.941 -3.998 14.142 1.00 0.00 N ATOM 0 H LYS A 85 6.408 -5.037 10.264 1.00 0.00 H new ATOM 0 HA LYS A 85 6.858 -7.019 12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.417 -4.085 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.001 -4.886 13.660 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.298 -5.938 13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.704 -5.048 12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.706 -3.045 13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.536 -4.101 15.044 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.893 -3.260 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.893 -2.186 13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.846 -3.593 13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.882 -3.950 15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.882 -4.991 13.838 1.00 0.00 H new ATOM 1359 N ALA A 86 3.848 -6.068 11.502 1.00 0.00 N ATOM 1360 CA ALA A 86 2.439 -6.393 11.645 1.00 0.00 C ATOM 1361 C ALA A 86 2.232 -7.880 11.345 1.00 0.00 C ATOM 1362 O ALA A 86 1.351 -8.515 11.923 1.00 0.00 O ATOM 1363 CB ALA A 86 1.611 -5.493 10.725 1.00 0.00 C ATOM 0 H ALA A 86 4.052 -5.356 10.801 1.00 0.00 H new ATOM 0 HA ALA A 86 2.104 -6.211 12.666 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.554 -5.737 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.772 -4.449 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.916 -5.651 9.691 1.00 0.00 H new ATOM 1369 N MET A 87 3.058 -8.391 10.445 1.00 0.00 N ATOM 1370 CA MET A 87 2.976 -9.789 10.063 1.00 0.00 C ATOM 1371 C MET A 87 4.303 -10.507 10.319 1.00 0.00 C ATOM 1372 O MET A 87 4.575 -11.548 9.724 1.00 0.00 O ATOM 1373 CB MET A 87 2.618 -9.894 8.579 1.00 0.00 C ATOM 1374 CG MET A 87 3.776 -9.418 7.701 1.00 0.00 C ATOM 1375 SD MET A 87 3.568 -10.025 6.034 1.00 0.00 S ATOM 1376 CE MET A 87 2.569 -8.713 5.350 1.00 0.00 C ATOM 0 H MET A 87 3.788 -7.861 9.969 1.00 0.00 H new ATOM 0 HA MET A 87 2.204 -10.265 10.667 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.371 -10.927 8.333 1.00 0.00 H new ATOM 0 HB3 MET A 87 1.730 -9.296 8.372 1.00 0.00 H new ATOM 0 HG2 MET A 87 3.817 -8.329 7.698 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.723 -9.771 8.110 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.345 -8.933 4.306 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.638 -8.633 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.113 -7.771 5.414 1.00 0.00 H new ATOM 1386 N ARG A 88 5.093 -9.922 11.208 1.00 0.00 N ATOM 1387 CA ARG A 88 6.385 -10.491 11.549 1.00 0.00 C ATOM 1388 C ARG A 88 6.884 -11.394 10.420 1.00 0.00 C ATOM 1389 O ARG A 88 6.666 -12.605 10.447 1.00 0.00 O ATOM 1390 CB ARG A 88 6.302 -11.303 12.844 1.00 0.00 C ATOM 1391 CG ARG A 88 6.810 -10.488 14.035 1.00 0.00 C ATOM 1392 CD ARG A 88 7.070 -11.388 15.244 1.00 0.00 C ATOM 1393 NE ARG A 88 6.134 -11.050 16.339 1.00 0.00 N ATOM 1394 CZ ARG A 88 6.367 -11.312 17.643 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.510 -11.917 18.027 1.00 0.00 N ATOM 1396 NH2 ARG A 88 5.459 -10.966 18.537 1.00 0.00 N ATOM 0 H ARG A 88 4.863 -9.060 11.702 1.00 0.00 H new ATOM 0 HA ARG A 88 7.083 -9.667 11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.271 -11.608 13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.891 -12.214 12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.728 -9.969 13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.078 -9.724 14.296 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.949 -12.434 14.962 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.099 -11.266 15.584 1.00 0.00 H new ATOM 0 HE ARG A 88 5.257 -10.590 16.093 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.207 -12.180 17.330 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.678 -12.111 19.014 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.598 -10.508 18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.619 -11.156 19.526 1.00 0.00 H new ATOM 1409 N LEU A 89 7.543 -10.771 9.454 1.00 0.00 N ATOM 1410 CA LEU A 89 8.073 -11.504 8.318 1.00 0.00 C ATOM 1411 C LEU A 89 9.596 -11.360 8.290 1.00 0.00 C ATOM 1412 O LEU A 89 10.165 -10.594 9.066 1.00 0.00 O ATOM 1413 CB LEU A 89 7.390 -11.055 7.024 1.00 0.00 C ATOM 1414 CG LEU A 89 8.226 -10.171 6.096 1.00 0.00 C ATOM 1415 CD1 LEU A 89 7.461 -9.849 4.811 1.00 0.00 C ATOM 1416 CD2 LEU A 89 8.692 -8.904 6.818 1.00 0.00 C ATOM 0 H LEU A 89 7.722 -9.767 9.435 1.00 0.00 H new ATOM 0 HA LEU A 89 7.854 -12.567 8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.086 -11.943 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.480 -10.515 7.285 1.00 0.00 H new ATOM 0 HG LEU A 89 9.120 -10.725 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.077 -9.220 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.221 -10.775 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.539 -9.322 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.284 -8.294 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.824 -8.336 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.300 -9.179 7.680 1.00 0.00 H new ATOM 1428 N ARG A 90 10.213 -12.109 7.387 1.00 0.00 N ATOM 1429 CA ARG A 90 11.659 -12.075 7.248 1.00 0.00 C ATOM 1430 C ARG A 90 12.047 -11.626 5.838 1.00 0.00 C ATOM 1431 O ARG A 90 12.957 -10.816 5.669 1.00 0.00 O ATOM 1432 CB ARG A 90 12.272 -13.450 7.525 1.00 0.00 C ATOM 1433 CG ARG A 90 11.801 -14.476 6.493 1.00 0.00 C ATOM 1434 CD ARG A 90 12.109 -15.902 6.959 1.00 0.00 C ATOM 1435 NE ARG A 90 13.022 -16.561 6.000 1.00 0.00 N ATOM 1436 CZ ARG A 90 14.369 -16.474 6.055 1.00 0.00 C ATOM 1437 NH1 ARG A 90 14.969 -15.754 7.026 1.00 0.00 N ATOM 1438 NH2 ARG A 90 15.089 -17.105 5.148 1.00 0.00 N ATOM 0 H ARG A 90 9.738 -12.743 6.745 1.00 0.00 H new ATOM 0 HA ARG A 90 12.045 -11.364 7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.359 -13.379 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.995 -13.781 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.729 -14.367 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.291 -14.288 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.563 -15.880 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.185 -16.473 7.045 1.00 0.00 H new ATOM 0 HE ARG A 90 12.609 -17.116 5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.405 -15.271 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.987 -15.693 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.628 -17.649 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.107 -17.049 5.176 1.00 0.00 H new ATOM 1451 N ILE A 91 11.336 -12.171 4.862 1.00 0.00 N ATOM 1452 CA ILE A 91 11.593 -11.836 3.471 1.00 0.00 C ATOM 1453 C ILE A 91 11.864 -10.335 3.355 1.00 0.00 C ATOM 1454 O ILE A 91 12.594 -9.899 2.466 1.00 0.00 O ATOM 1455 CB ILE A 91 10.450 -12.327 2.582 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.090 -11.981 3.194 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.584 -13.823 2.290 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.083 -11.593 2.111 1.00 0.00 C ATOM 0 H ILE A 91 10.582 -12.842 5.007 1.00 0.00 H new ATOM 0 HA ILE A 91 12.486 -12.349 3.113 1.00 0.00 H new ATOM 0 HB ILE A 91 10.514 -11.806 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.713 -12.835 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.204 -11.159 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.758 -14.145 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.528 -14.011 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.561 -14.380 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.126 -11.352 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.452 -10.724 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.953 -12.426 1.420 1.00 0.00 H new ATOM 1470 N VAL A 92 11.260 -9.584 4.264 1.00 0.00 N ATOM 1471 CA VAL A 92 11.427 -8.141 4.274 1.00 0.00 C ATOM 1472 C VAL A 92 11.798 -7.665 2.868 1.00 0.00 C ATOM 1473 O VAL A 92 12.853 -7.064 2.670 1.00 0.00 O ATOM 1474 CB VAL A 92 12.456 -7.740 5.333 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.618 -6.220 5.392 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.083 -8.306 6.704 1.00 0.00 C ATOM 0 H VAL A 92 10.654 -9.948 4.999 1.00 0.00 H new ATOM 0 HA VAL A 92 10.493 -7.650 4.547 1.00 0.00 H new ATOM 0 HB VAL A 92 13.416 -8.168 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.355 -5.962 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.953 -5.852 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.662 -5.762 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.831 -8.006 7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.107 -7.922 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.044 -9.394 6.650 1.00 0.00 H new ATOM 1486 N PRO A 93 10.887 -7.959 1.902 1.00 0.00 N ATOM 1487 CA PRO A 93 11.108 -7.568 0.520 1.00 0.00 C ATOM 1488 C PRO A 93 10.874 -6.069 0.331 1.00 0.00 C ATOM 1489 O PRO A 93 10.184 -5.438 1.131 1.00 0.00 O ATOM 1490 CB PRO A 93 10.148 -8.425 -0.288 1.00 0.00 C ATOM 1491 CG PRO A 93 9.103 -8.926 0.696 1.00 0.00 C ATOM 1492 CD PRO A 93 9.627 -8.670 2.099 1.00 0.00 C ATOM 0 HA PRO A 93 12.136 -7.730 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.685 -7.845 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.670 -9.257 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.155 -8.410 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.916 -9.989 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.924 -8.075 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.780 -9.603 2.641 1.00 0.00 H new ATOM 1500 N GLU A 94 11.464 -5.540 -0.731 1.00 0.00 N ATOM 1501 CA GLU A 94 11.329 -4.126 -1.035 1.00 0.00 C ATOM 1502 C GLU A 94 9.892 -3.807 -1.454 1.00 0.00 C ATOM 1503 O GLU A 94 9.652 -3.359 -2.574 1.00 0.00 O ATOM 1504 CB GLU A 94 12.323 -3.701 -2.119 1.00 0.00 C ATOM 1505 CG GLU A 94 12.830 -2.280 -1.870 1.00 0.00 C ATOM 1506 CD GLU A 94 13.919 -1.902 -2.877 1.00 0.00 C ATOM 1507 OE1 GLU A 94 13.631 -1.744 -4.072 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.102 -1.773 -2.378 1.00 0.00 O ATOM 0 H GLU A 94 12.037 -6.066 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 94 11.558 -3.557 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.165 -4.393 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.845 -3.754 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.001 -1.576 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.224 -2.203 -0.857 1.00 0.00 H new ATOM 1516 N LEU A 95 8.973 -4.050 -0.530 1.00 0.00 N ATOM 1517 CA LEU A 95 7.567 -3.796 -0.789 1.00 0.00 C ATOM 1518 C LEU A 95 7.335 -2.286 -0.886 1.00 0.00 C ATOM 1519 O LEU A 95 7.012 -1.639 0.109 1.00 0.00 O ATOM 1520 CB LEU A 95 6.694 -4.485 0.262 1.00 0.00 C ATOM 1521 CG LEU A 95 7.127 -4.300 1.719 1.00 0.00 C ATOM 1522 CD1 LEU A 95 6.000 -3.687 2.551 1.00 0.00 C ATOM 1523 CD2 LEU A 95 7.628 -5.617 2.312 1.00 0.00 C ATOM 0 H LEU A 95 9.176 -4.420 0.399 1.00 0.00 H new ATOM 0 HA LEU A 95 7.273 -4.227 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.674 -4.116 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.671 -5.553 0.043 1.00 0.00 H new ATOM 0 HG LEU A 95 7.961 -3.599 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.333 -3.566 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.732 -2.714 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.130 -4.344 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.929 -5.458 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.830 -6.359 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.482 -5.974 1.736 1.00 0.00 H new ATOM 1535 N THR A 96 7.513 -1.768 -2.093 1.00 0.00 N ATOM 1536 CA THR A 96 7.328 -0.347 -2.332 1.00 0.00 C ATOM 1537 C THR A 96 5.841 0.014 -2.280 1.00 0.00 C ATOM 1538 O THR A 96 4.983 -0.866 -2.333 1.00 0.00 O ATOM 1539 CB THR A 96 7.990 -0.001 -3.667 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.142 1.414 -3.623 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.062 -0.241 -4.860 1.00 0.00 C ATOM 0 H THR A 96 7.783 -2.307 -2.916 1.00 0.00 H new ATOM 0 HA THR A 96 7.803 0.249 -1.553 1.00 0.00 H new ATOM 0 HB THR A 96 8.896 -0.595 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.566 1.723 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.580 0.020 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.773 -1.292 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.170 0.377 -4.757 1.00 0.00 H new ATOM 1549 N PHE A 97 5.582 1.310 -2.176 1.00 0.00 N ATOM 1550 CA PHE A 97 4.215 1.796 -2.116 1.00 0.00 C ATOM 1551 C PHE A 97 3.947 2.815 -3.226 1.00 0.00 C ATOM 1552 O PHE A 97 4.462 3.932 -3.185 1.00 0.00 O ATOM 1553 CB PHE A 97 4.044 2.481 -0.759 1.00 0.00 C ATOM 1554 CG PHE A 97 4.782 3.816 -0.636 1.00 0.00 C ATOM 1555 CD1 PHE A 97 6.137 3.835 -0.521 1.00 0.00 C ATOM 1556 CD2 PHE A 97 4.083 4.983 -0.644 1.00 0.00 C ATOM 1557 CE1 PHE A 97 6.823 5.073 -0.408 1.00 0.00 C ATOM 1558 CE2 PHE A 97 4.769 6.221 -0.532 1.00 0.00 C ATOM 1559 CZ PHE A 97 6.125 6.241 -0.416 1.00 0.00 C ATOM 0 H PHE A 97 6.296 2.037 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 97 3.519 0.967 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.982 2.647 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.398 1.809 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.691 2.908 -0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.007 4.968 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.899 5.088 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.214 7.148 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.646 7.183 -0.330 1.00 0.00 H new ATOM 1569 N PHE A 98 3.144 2.395 -4.191 1.00 0.00 N ATOM 1570 CA PHE A 98 2.802 3.257 -5.309 1.00 0.00 C ATOM 1571 C PHE A 98 1.549 4.081 -5.003 1.00 0.00 C ATOM 1572 O PHE A 98 0.457 3.529 -4.871 1.00 0.00 O ATOM 1573 CB PHE A 98 2.519 2.346 -6.506 1.00 0.00 C ATOM 1574 CG PHE A 98 3.510 2.510 -7.661 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.819 2.185 -7.486 1.00 0.00 C ATOM 1576 CD2 PHE A 98 3.081 2.983 -8.862 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.737 2.338 -8.558 1.00 0.00 C ATOM 1578 CE2 PHE A 98 4.000 3.137 -9.933 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.309 2.811 -9.759 1.00 0.00 C ATOM 0 H PHE A 98 2.720 1.468 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 98 3.620 3.949 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.535 1.309 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.513 2.547 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.160 1.811 -6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.042 3.241 -9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.776 2.079 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.660 3.513 -10.886 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.008 2.928 -10.574 1.00 0.00 H new ATOM 1589 N TYR A 99 1.749 5.386 -4.900 1.00 0.00 N ATOM 1590 CA TYR A 99 0.649 6.291 -4.613 1.00 0.00 C ATOM 1591 C TYR A 99 0.149 6.970 -5.891 1.00 0.00 C ATOM 1592 O TYR A 99 0.688 7.995 -6.304 1.00 0.00 O ATOM 1593 CB TYR A 99 1.213 7.355 -3.672 1.00 0.00 C ATOM 1594 CG TYR A 99 2.739 7.478 -3.715 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.525 6.520 -3.110 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.326 8.549 -4.359 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.960 6.638 -3.151 1.00 0.00 C ATOM 1598 CE2 TYR A 99 4.761 8.665 -4.400 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.506 7.703 -3.794 1.00 0.00 C ATOM 1600 OH TYR A 99 6.862 7.813 -3.833 1.00 0.00 O ATOM 0 H TYR A 99 2.656 5.839 -5.010 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.190 5.749 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.774 8.320 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.906 7.123 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.065 5.683 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.710 9.299 -4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.588 5.896 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.234 9.497 -4.901 1.00 0.00 H new ATOM 0 HH TYR A 99 7.110 8.622 -4.326 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.876 6.370 -6.480 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.453 6.904 -7.700 1.00 0.00 C ATOM 1612 C ASP A 100 -2.736 7.667 -7.363 1.00 0.00 C ATOM 1613 O ASP A 100 -3.811 7.074 -7.276 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.814 5.782 -8.676 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.150 5.880 -10.051 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -1.789 5.646 -11.086 1.00 0.00 O ATOM 1617 OD2 ASP A 100 0.095 6.218 -10.031 1.00 0.00 O ATOM 0 H ASP A 100 -1.321 5.520 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.715 7.561 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.542 4.828 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.895 5.773 -8.812 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.580 8.969 -7.178 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.713 9.819 -6.851 1.00 0.00 C ATOM 1625 C ASN A 101 -4.346 10.339 -8.143 1.00 0.00 C ATOM 1626 O ASN A 101 -3.989 9.897 -9.233 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.273 11.027 -6.021 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.392 10.595 -4.847 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -1.506 11.511 -4.469 1.00 0.00 O flip ATOM 1630 ND2 ASN A 101 -2.510 9.500 -4.318 1.00 0.00 N flip ATOM 0 H ASN A 101 -1.687 9.457 -7.248 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.425 9.226 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.726 11.727 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.150 11.555 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.212 8.842 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.907 9.243 -3.537 1.00 0.00 H new ATOM 1637 N SER A 102 -5.274 11.270 -7.977 1.00 0.00 N ATOM 1638 CA SER A 102 -5.960 11.855 -9.117 1.00 0.00 C ATOM 1639 C SER A 102 -5.209 13.097 -9.599 1.00 0.00 C ATOM 1640 O SER A 102 -5.756 13.909 -10.342 1.00 0.00 O ATOM 1641 CB SER A 102 -7.405 12.211 -8.765 1.00 0.00 C ATOM 1642 OG SER A 102 -7.795 13.464 -9.319 1.00 0.00 O ATOM 0 H SER A 102 -5.567 11.634 -7.070 1.00 0.00 H new ATOM 0 HA SER A 102 -5.981 11.118 -9.920 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.071 11.429 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.517 12.243 -7.681 1.00 0.00 H new ATOM 0 HG SER A 102 -8.223 14.009 -8.626 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.965 13.206 -9.155 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.133 14.336 -9.533 1.00 0.00 C ATOM 1650 C LEU A 103 -2.190 13.916 -10.662 1.00 0.00 C ATOM 1651 O LEU A 103 -1.318 14.682 -11.065 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.410 14.902 -8.307 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.682 16.232 -8.513 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.430 17.377 -7.828 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.228 16.138 -8.050 1.00 0.00 C ATOM 0 H LEU A 103 -3.514 12.531 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.748 15.150 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.139 15.030 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.686 14.163 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.665 16.452 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.892 18.311 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.433 17.459 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.499 17.178 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.267 17.096 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.199 15.885 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.287 15.366 -8.622 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.400 12.699 -11.143 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.580 12.168 -12.218 1.00 0.00 C ATOM 1669 C VAL A 104 -2.487 11.573 -13.298 1.00 0.00 C ATOM 1670 O VAL A 104 -2.003 11.011 -14.278 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.574 11.159 -11.659 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.049 10.240 -12.765 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.575 11.869 -10.944 1.00 0.00 C ATOM 0 H VAL A 104 -3.126 12.066 -10.808 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.998 12.963 -12.684 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.091 10.540 -10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.664 9.532 -12.342 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.881 9.694 -13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.444 10.838 -13.531 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.275 11.129 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.091 12.524 -11.646 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.179 12.461 -10.119 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.785 11.718 -13.080 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.764 11.203 -14.024 1.00 0.00 C ATOM 1685 C GLU A 105 -6.076 11.981 -13.906 1.00 0.00 C ATOM 1686 O GLU A 105 -6.740 12.241 -14.909 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.993 9.706 -13.811 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.664 8.949 -13.755 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.897 7.442 -13.625 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -4.994 7.016 -13.237 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.887 6.705 -13.946 1.00 0.00 O ATOM 0 H GLU A 105 -4.182 12.184 -12.264 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.375 11.338 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.545 9.547 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.607 9.310 -14.620 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.086 9.155 -14.656 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.074 9.304 -12.910 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.410 12.331 -12.673 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.631 13.076 -12.411 1.00 0.00 C ATOM 1701 C GLY A 106 -8.807 12.129 -12.168 1.00 0.00 C ATOM 1702 O GLY A 106 -9.885 12.563 -11.764 1.00 0.00 O ATOM 0 H GLY A 106 -5.857 12.113 -11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.490 13.718 -11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.852 13.728 -13.256 1.00 0.00 H new ATOM 1706 N MET A 107 -8.561 10.852 -12.422 1.00 0.00 N ATOM 1707 CA MET A 107 -9.588 9.840 -12.237 1.00 0.00 C ATOM 1708 C MET A 107 -8.968 8.494 -11.858 1.00 0.00 C ATOM 1709 O MET A 107 -9.559 7.444 -12.103 1.00 0.00 O ATOM 1710 CB MET A 107 -10.395 9.687 -13.527 1.00 0.00 C ATOM 1711 CG MET A 107 -9.470 9.486 -14.730 1.00 0.00 C ATOM 1712 SD MET A 107 -9.058 7.759 -14.901 1.00 0.00 S ATOM 1713 CE MET A 107 -7.396 7.771 -14.248 1.00 0.00 C ATOM 0 H MET A 107 -7.665 10.495 -12.754 1.00 0.00 H new ATOM 0 HA MET A 107 -10.243 10.158 -11.426 1.00 0.00 H new ATOM 0 HB2 MET A 107 -11.072 8.838 -13.438 1.00 0.00 H new ATOM 0 HB3 MET A 107 -11.012 10.572 -13.682 1.00 0.00 H new ATOM 0 HG2 MET A 107 -9.957 9.844 -15.637 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.561 10.074 -14.603 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.256 6.910 -13.594 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.682 7.723 -15.070 1.00 0.00 H new ATOM 0 HE3 MET A 107 -7.235 8.688 -13.681 1.00 0.00 H new ATOM 1723 N ARG A 108 -7.783 8.569 -11.267 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.076 7.368 -10.854 1.00 0.00 C ATOM 1725 C ARG A 108 -8.059 6.346 -10.280 1.00 0.00 C ATOM 1726 O ARG A 108 -7.683 5.209 -9.997 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.013 7.691 -9.802 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.615 7.689 -8.396 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.737 8.723 -8.278 1.00 0.00 C ATOM 1730 NE ARG A 108 -8.381 8.622 -6.950 1.00 0.00 N ATOM 1731 CZ ARG A 108 -9.395 7.779 -6.661 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -9.891 6.955 -7.609 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -9.896 7.771 -5.440 1.00 0.00 N ATOM 0 H ARG A 108 -7.296 9.442 -11.065 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.586 6.951 -11.734 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.207 6.959 -9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.573 8.666 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.004 6.697 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.838 7.906 -7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.335 9.726 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.476 8.561 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.037 9.228 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.499 6.967 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.657 6.321 -7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.517 8.397 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.662 7.139 -5.207 1.00 0.00 H new